1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Openeye Name: 1,4,7-tris(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Traditional Name: 1,4,7-tritosyl-1,4,7,10-tetrazacyclododecane Formula: C29H38N4O6S3 MolecularWeight: 634.83022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H38N4O6S3/c1-24-4-10-27(11-5-24)40(34,35)31-18-16-30-17-19-32(41(36,37)28-12-6-25(2)7-13-28)21-23-33(22-20-31)42(38,39)29-14-8-26(3)9-15-29/h4-15,30H,16-23H2,1-3H3